CID 85755

14576-08-0

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CC1=CCC(CC1)C(C)(C)OC

InChI

InChI=1S/C11H20O/c1-9-5-7-10(8-6-9)11(2,3)12-4/h5,10H,6-8H2,1-4H3

InChIKey

YWJHQHJWHJRTAB-UHFFFAOYSA-N

Compound name

4-(2-methoxypropan-2-yl)-1-methylcyclohexene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 860
Patents: 168.15141 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	169.158686	138.9
[M+Na]+	191.140628	144.9
[M-H]-	167.144134	142.2
[M+NH4]+	186.185233	159.9
[M+K]+	207.114568	144.0
[M+H-H2O]+	151.148670	134.0
[M+HCOO]-	213.149611	158.7
[M+CH3COO]-	227.165261	181.7
[M+Na-2H]-	189.126076	144.2
[M]+	168.15086142	138.1
[M]-	168.15195858	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe